Geometry & MOs

Info

ID:	291553
PubChem CID:	113441970
Reduced:	BrN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	263.072848
ΔH_f, kcal/mol:	15.24
Dipole, Da:	1.94
IP(EA), eV:	-8.79(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-2-yl)-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC1CCCCCN1C2=C(C=C(C=N2)Br)CN

DOS

IR

Vibrations